3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride

C15H26Cl3N3 — CID 146155714

IUPAC3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride
SMILESCl.Cl.Cl.c1cncc(CN2CCC(C3CCNC3)CC2)c1
InChIInChI=1S/C15H23N3.3ClH/c1-2-13(10-16-6-1)12-18-8-4-14(5-9-18)15-3-7-17-11-15;;;/h1-2,6,10,14-15,17H,3-5,7-9,11-12H2;3*1H
InChIKeyJQXJSKDJTMDORR-UHFFFAOYSA-N
MW354.75 g/mol
LogP3.17
Rot. Bonds3

About 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride

3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride (PubChem CID 146155714) has the molecular formula C15H26Cl3N3 and a molecular weight of 354.75 g/mol. Its IUPAC name is 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride.

Molecular Properties

Compound Name3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride
PubChem CID146155714
Molecular FormulaC15H26Cl3N3
Molecular Weight354.75 g/mol
Exact Mass353.12
IUPAC Name3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride
SMILESCl.Cl.Cl.c1cncc(CN2CCC(C3CCNC3)CC2)c1
InChIInChI=1S/C15H23N3.3ClH/c1-2-13(10-16-6-1)12-18-8-4-14(5-9-18)15-3-7-17-11-15;;;/h1-2,6,10,14-15,17H,3-5,7-9,11-12H2;3*1H
InChIKeyJQXJSKDJTMDORR-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride?
The IUPAC name of 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride (CID 146155714) is 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride.
What is the SMILES notation for 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride?
The canonical SMILES for 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride is Cl.Cl.Cl.c1cncc(CN2CCC(C3CCNC3)CC2)c1.
What is the InChIKey of 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride?
The InChIKey is JQXJSKDJTMDORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.3ClH/c1-2-13(10-16-6-1)12-18-8-4-14(5-9-18)15-3-7-17-11-15;;;/h1-2,6,10,14-15,17H,3-5,7-9,11-12H2;3*1H.
What are the key properties of 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride?
3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride has a molecular weight of 354.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrrolidin-3-ylpiperidin-1-yl)methyl]pyridine;trihydrochloride is sourced from PubChem (CID 146155714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).